Deprecate nmrCV compounds in favour of CHEBI #54
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StroemPhi
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Feb 12, 2025
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Deprecate-nmrCV-compounds-in-favour-of-CHEBI-#47
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This PR makes a new release for nmrCV to reflect the current changes made by NFDI4Chem. Changes summary: * **ATTENTION: This might introduce breaking changes with regard to using nmrCV in conjunction with nmrML! We therefore advise to keep using nmrCV version 1.1.0 with nmrML!** * The maintenance & development of nmrCV was migrated to an [Ontology Development Kit based workflow](https://github.com/INCATools/ontology-development-kit/tree/master), see also: #1, #8, #14 & #30. Due to that nmrCV: * is now also published in the form of `full` and `base` [release artefacts](https://oboacademy.github.io/obook/reference/release-artefacts/) in .obo, .ttl as well as .owl serialization. * now imports terms from exisiting ontologies, such as CHEBI, BFO, RO, OBI & IAO, instead of redefining them anew, * most importantly it imports chemical entites from CHEBI as was initially planned and its nmrCV placeholder terms where thus properly deprecated, see also #13, #18, #26, #29. #53, #54 & #55, * is now using a date based versioning scheme instead of a [semantic versioning scheme](https://semver.org/), starting with the 2025-03-19 release, which can be interpreted as a 2.0_alpha version. * In the present PR the ontology annotations where updated to include the new NFDI4Chem contributors and to reflect the reviving of nmrCV and its new scope. * Annotations specific to the contributors of the previous version where adjusted, in that contributors are now consistently listed individually using `dc:contributor` where no ORCID could be identified and `dcterms.contributor` where corresponding ORCIDs could be identified. * The textual definition of `NMR sample` was made more general in #2. * The NMR manufacturer pattern was harmonized with OBI in #40 * The calibration compound branch was improved in #45. * The class `characterized compound` was added in #37 A complete list of changes was created with `robot diff`: * [diff_nmrCV1.1-nmrCV2.0alpha.md](https://github.com/nmrML/nmrCV/blob/main/diff_nmrCV1.1-nmrCV_2025-03-20.md) * [diff_nmrCV1.1-nmrCV2.0alpha.html](https://github.com/nmrML/nmrCV/blob/main/diff_nmrCV1.1-nmrCV_2025-03-20.html)
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fixes #47